UCSF

ZINC37871823

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.17 9.33 -51.44 2 2 1 40 255.316 4
Mid Mid (pH 6-8) 3.17 7.96 -7.16 1 2 0 36 254.308 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )